Please use this identifier to cite or link to this item: https://libjncir.jncasr.ac.in/xmlui/handle/10572/2548
Title: Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au-20 over Its Tetrahedral Conformer: A Systematic DFT Study
Authors: Yamijala, Sharma S. R. K. C.
Bandyopadhyay, Arkamita
Pati, Swapan Kumar
Keywords: Physical Chemistry
Nanoscience & Nanotechnology
Materials Science
Space Gaussian Pseudopotentials
Boron-Nitride
Density
Nanoparticles
Oxidation
Clusters
Mgo
Au
Issue Date: 2014
Publisher: American Chemical Society
Citation: Yamijala, SSRKC; Bandyopadhyay, A; Pati, SK, Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au-20 over Its Tetrahedral Conformer: A Systematic DFT Study. Journal of Physical Chemistry C 2014, 118 (31) 17890-17894, http://dx.doi.org/10.1021/jp506623b
Journal of Physical Chemistry C
118
31
Abstract: Utilizing the strengths of nitrogen-doped graphene quantum dot (N-GQD) as a substrate, herein, we have shown that one can stabilize the catalytically more active planar Au-20 (P-Au-20) compared with the thermodynamically more stable tetrahedral structure (T-Au-20) on an N-GQD. Clearly, this simple route avoids the usage of traditional transition-metal oxide substrates, which have been suggested and used for stabilizing the planar structure for a long time. Considering the experimental success in the synthesis of N-GQDs and in the stabilization of Au nanopartides on N-doped graphene, we expect our proposed method to stabilize planar structure will be realized experimentally and will be useful for industrial level applications.
Description: Restricted Access
URI: https://libjncir.jncasr.ac.in/xmlui/10572/2548
ISSN: 1932-7447
Appears in Collections:Research Articles (Swapan Kumar Pati)

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